SCHEMBL6869400

SCHEMBL6869400

CC(=O)Oc1cc(Cl)ccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
ABCB11 O95342 1/20 0.47
HTT P42858 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
TSHR P16473 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
HIF1A Q16665 1/20 0.42
GLA P06280 1/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.41
CYP4F2 P78329 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27748768 0.86 ACHE (0.53) ACHEABCB11HTTKDM4EGAA
SCHEMBL132336 0.85 TSHR (0.56) ACHEABCB11HTTNR1H4TSHR
SCHEMBL11338058 0.84 KDM4E (0.58) ABCB11HTTNR1H4TSHRKDM4E
SCHEMBL16600290 0.83 CYP3A4 (0.44) ACHEPTGDR2TSHRHTR2AHTR2C
SCHEMBL5712913 0.83 TSHR (0.54) ACHEABCB11HTTNR1H4TSHR
SCHEMBL3737609 0.82 ABCB11 (0.49) ABCB11HTTNR1H4TSHRKDM4E
SCHEMBL28188355 0.82 ABCB11 (0.49) ABCB11HTTNR1H4TSHRKDM4E
SCHEMBL14448663 0.81 ALDH1A1 (0.46) PTGDR2TSHRHTR2AHTR2CHTR2B
SCHEMBL3379096 0.81 KDM4E (0.49) ACHEABCB11NR1H4TSHRKDM4E
SCHEMBL1316498 0.81 KDM4E (0.67) ABCB11NR1H4TSHRKDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818772-B2 DIETETICS, SLEEP DISORDERS, EATING DISORDERS, SEXUAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS ABBOTT LABORATORIES 2004-11-16 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R ACHE 1932/4885ABCB11 1355/4885HTT 76/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.